(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile

C11H13N3 — CID 67821180

IUPAC(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
SMILESCN1CCC(C#N)[C@H]1c1cccnc1
InChIInChI=1S/C11H13N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6H2,1H3/t9?,11-/m0/s1
InChIKeyASFKOKCKTGIGNO-UMJHXOGRSA-N
MW187.25 g/mol
LogP1.60
Rot. Bonds1

About (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile

(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile (PubChem CID 67821180) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
PubChem CID67821180
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
SMILESCN1CCC(C#N)[C@H]1c1cccnc1
InChIInChI=1S/C11H13N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6H2,1H3/t9?,11-/m0/s1
InChIKeyASFKOKCKTGIGNO-UMJHXOGRSA-N
XLogP1.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile
CID 90467844
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10330622
2-pyridin-3-ylcyclohexane-1-carbonitrile
CID 82241004
(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile
CID 21124107
5-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 128993532
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
CID 21152440

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile?
The IUPAC name of (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile (CID 67821180) is (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile.
What is the SMILES notation for (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile?
The canonical SMILES for (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile is CN1CCC(C#N)[C@H]1c1cccnc1.
What is the InChIKey of (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile?
The InChIKey is ASFKOKCKTGIGNO-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6H2,1H3/t9?,11-/m0/s1.
What are the key properties of (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile?
(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 67821180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).